Crystallography Open Database

Information card for entry 2311577

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Coordinates	2311577.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dibarium dipotassium nonaoxidoditellurate
Formula	Ba2 K2 O9 Te2
Calculated formula	Ba2 K2 O9 Te2
SMILES	[K+].O1[Te]2(O[Te]1([O-])(O2)([O-])[O-])([O-])([O-])[O-].[Ba+2].[Ba+2].[K+]
Title of publication	Crystal structures of the triple perovskites Ba<sub>2</sub>K<sub>2</sub>Te<sub>2</sub>O<sub>9</sub> and Ba<sub>2</sub>KNaTe<sub>2</sub>O<sub>9</sub>, and redetermination of the double perovskite Ba<sub>2</sub>CaTeO<sub>6</sub>.
Authors of publication	Weil, Matthias
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2018
Journal volume	74
Journal issue	Pt 7
Pages of publication	1006 - 1009
a	6.047 ± 0.003 Å
b	6.047 ± 0.003 Å
c	16.479 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	521.8 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0186
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0348
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	1.15
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
245998 (current)	2019-12-25	cif/ Adding structures of 2311577, 2311578, 2311579 via cif-deposit CGI script.	2311577.cif